4-[[(1-ethoxycarbonylpiperidin-4-yl)amino]methyl]-2,5-dimethyl-1-[(3-methylphenyl)methyl]pyrrole-3-carboxylic acid

Systemtic Name: 4-[[(1-ethoxycarbonylpiperidin-4-yl)amino]methyl]-2,5-dimethyl-1-[(3-methylphenyl)methyl]pyrrole-3-carboxylic acid Openeye Name: 4-[[(1-ethoxycarbonyl-4-piperidyl)amino]methyl]-2,5-dimethyl-1-(m-tolylmethyl)pyrrole-3-carboxylic acid CAS Name: 4-[[(1-ethoxycarbonyl-4-piperidinyl)amino]methyl]-2,5-dimethyl-1-[(3-methylphenyl)methyl]-3-pyrrolecarboxylic acid IUPAC Name: 4-[[(1-ethoxycarbonylpiperidin-4-yl)amino]methyl]-2,5-dimethyl-1-[(3-methylphenyl)methyl]pyrrole-3-carboxylic acid Traditional Name: 4-[[(1-carbethoxy-4-piperidyl)amino]methyl]-2,5-dimethyl-1-(3-methylbenzyl)pyrrole-3-carboxylic acid Formula: C24H33N3O4 MolecularWeight: 427.53652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NCC2=C(N(C(=C2C(=O)O)C)CC3=CC=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NCC2=C(N(C(=C2C(=O)O)C)CC3=CC=CC(=C3)C)C

InChI

InChI=1S/C24H33N3O4/c1-5-31-24(30)26-11-9-20(10-12-26)25-14-21-17(3)27(18(4)22(21)23(28)29)15-19-8-6-7-16(2)13-19/h6-8,13,20,25H,5,9-12,14-15H2,1-4H3,(H,28,29)